{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.159267 ] [ 0.5 0.75 0.840733 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.25 0.375554 ] [ 0 0.75 0.624446 ] [ 0.5 0.75 0.193125 ] [ 0.5 0.25 0.806875 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Cu" "Cu" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.97058402 "source-unit" "angstrom" } "b" { "source-value" 4.95446534 "source-unit" "angstrom" } "c" { "source-value" 6.7786735 "source-unit" "angstrom" } }